5-methyl-6-[(4-methylpiperazin-1-yl)methyl]-4-[(4-phenoxyphenyl)amino]pyrrolo[1,2-b]pyridazine-3-carbonitrile

Systemtic Name: 5-methyl-6-[(4-methylpiperazin-1-yl)methyl]-4-[(4-phenoxyphenyl)amino]pyrrolo[1,2-b]pyridazine-3-carbonitrile Openeye Name: 5-methyl-6-[(4-methylpiperazin-1-yl)methyl]-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazine-3-carbonitrile CAS Name: 5-methyl-6-[(4-methyl-1-piperazinyl)methyl]-4-(4-phenoxyanilino)-3-pyrrolo[1,2-b]pyridazinecarbonitrile IUPAC Name: 5-methyl-6-[(4-methylpiperazin-1-yl)methyl]-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazine-3-carbonitrile Traditional Name: 5-methyl-6-[(4-methylpiperazino)methyl]-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazine-3-carbonitrile Formula: C27H28N6O MolecularWeight: 452.55082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=NN2C=C1CN3CCN(CC3)C)C#N)NC4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

CC1=C2C(=C(C=NN2C=C1CN3CCN(CC3)C)C#N)NC4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C27H28N6O/c1-20-22(18-32-14-12-31(2)13-15-32)19-33-27(20)26(21(16-28)17-29-33)30-23-8-10-25(11-9-23)34-24-6-4-3-5-7-24/h3-11,17,19,30H,12-15,18H2,1-2H3